(5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C18H18Cl2N2O2 — CID 1010103

IUPAC(5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-6-5-14(20)12-16(17)18(23)22-9-7-21(8-10-22)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3
InChIKeyXBTHMXPSSTYETL-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.96
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 1010103) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID1010103
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-6-5-14(20)12-16(17)18(23)22-9-7-21(8-10-22)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3
InChIKeyXBTHMXPSSTYETL-UHFFFAOYSA-N
XLogP3.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 1010103) is (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is XBTHMXPSSTYETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-17-6-5-14(20)12-16(17)18(23)22-9-7-21(8-10-22)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 365.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1010103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).